UCSF

ZINC14808443

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2008 15 Yes

Popular Name: 5-phenyl-3-(trifluoromethyl)-1H-pyrazole 5-phenyl-3-(trifluoromethyl)-1H-…

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CAS Number: 4027-54-7

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.13 5.45 -5.22 1 2 0 29 212.174 2 ↓
Ref Reference (pH 7) 3.13 5.47 -4.47 1 2 0 29 212.174 2 ↓
Hi High (pH 8-9.5) 3.13 5.33 -36.68 0 2 -1 27 211.166 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 120-122° Oakwood Chemical
MP 121° Oakwood Chemical
MP 124 TCI
Purity 97% Fluorochem

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Analogs ( Draw Identity 99% 90% 80% 70% )